Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-harmonic generation
Atomic Physics
2016-08-17 v1
Abstract
We present the numerical implementation of the time-dependent complete-active-space self-consistent-field (TD-CASSCF) method [Phys. Rev. A, 88, 023402 (2013)] for atoms driven by a strong linearly polarized laser pulse. The present implementation treats the problem in its full dimensionality and introduces a gauge-invariant frozen-core approximation, an efficient evaluation of the Coulomb mean field scaling linearly with the number of basis functions, and a split-operator method specifically designed for stable propagation of stiff spatial derivative operators. We apply this method to high-harmonic generation in helium, beryllium, and neon and explore the role of electron correlations.
Cite
@article{arxiv.1605.00703,
title = {Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-harmonic generation},
author = {Takeshi Sato and Kenichi L. Ishikawa and Iva Brezinova and Fabian Lackner and Stefan Nagele and Joachim Burgdorfer},
journal= {arXiv preprint arXiv:1605.00703},
year = {2016}
}
Comments
13 pages, 8 figures